Geometry & MOs

Info

ID:	33333
PubChem CID:	7885995
Reduced:	O2S2N5C19H23 (1)
Stoich.:	A2B2C5D19E23 (1)
Weight, g/mol:	410.087118
ΔH_f, kcal/mol:	-10.65
Dipole, Da:	4.77
IP(EA), eV:	-8.88(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5,6-dimethyl-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-3-prop-2-enylthieno[2,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)NC3=CC=NN3C(C)C)CC=C)C

DOS

IR

Vibrations